On Mar 11, 2008, at 13:09 , Li yan-ling wrote: > By the way, if one of you can help me generate a k point path about > hexagonal crystal with P63/mcc sacegroup(No. 194), it's my pleasure.
the algorithm for automatic k-point generation is absolutely general. You just have to specify how dense the grid should be along the three axis (respecting symmetry, of course) Paolo --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
